General Information of the Compound
| Compound ID |
CP0513249
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| Compound Name |
(2R)-2-[[(2R)-2-[[(2R)-2-[5-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentanoylamino]propanoyl]amino]propanoyl]amino]propanoic acid
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| Structure |
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| Formula |
C36H46Cl2N6O6S
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| Molecular Weight |
761.773
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| Canonical SMILES |
C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(O)=O
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| InChI |
InChI=1S/C36H46Cl2N6O6S/c1-21(33(46)40-22(2)34(47)41-23(3)36(49)50)39-32(45)11-7-4-8-24-16-28(38)25(17-27(24)37)18-42-20-51-19-31(42)35(48)44-15-14-43(26-12-13-26)29-9-5-6-10-30(29)44/h5-6,9-10,16-17,21-23,26,31H,4,7-8,11-15,18-20H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)(H,49,50)/t21-,22-,23-,31+/m1/s1
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| InChIKey |
NXFCVZUVDCJRNI-BVISUOFCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound